- InChI
- InChI=1S/C7H14S/c1-4-6-8-7(3)5-2/h4,7H,1,5-6H2,2-3H3
- InChI Key
- QLCUOCVKHIAUIL-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- C=CCSC(C)CC
- Molecular Weight1
- 130.25
- CAS
- 70289-07-5
- Other Names
-
- Sulfide, allyl sec-butyl,
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 126.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 2.704 | Crippen Calculated Property | |
| McVol | 121.540 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Inp | [920.00; 920.00] |
|
|
| Inp | 920.00 | NIST | |
| Inp | 920.00 | NIST | |
| Tboil | 424.58 | K | Joback Calculated Property |
| Tc | 620.45 | K | Joback Calculated Property |
| Tfus | 186.29 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.95; 296.87] | J/mol×K | [424.58; 620.45] |
|
| Cp,gas | 229.95 | J/mol×K | 424.58 | Joback Calculated Property |
| Cp,gas | 242.43 | J/mol×K | 457.22 | Joback Calculated Property |
| Cp,gas | 254.37 | J/mol×K | 489.87 | Joback Calculated Property |
| Cp,gas | 265.77 | J/mol×K | 522.51 | Joback Calculated Property |
| Cp,gas | 276.65 | J/mol×K | 555.16 | Joback Calculated Property |
| Cp,gas | 287.01 | J/mol×K | 587.80 | Joback Calculated Property |
| Cp,gas | 296.87 | J/mol×K | 620.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-methyl-4-thia-1-heptene.
Sources
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